SCHEMBL4981285

SCHEMBL4981285

CC(C)(C)OC(=O)C(Cc1cc([N+](=O)[O-])ccc1F)CN1CCC2(CC1)OCc1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.41
MCHR1 Q99705 5/20 0.41
OPRL1 P41146 8/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
AVPR1A P37288 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4981291 1.00 ADRA1A (0.41) ADRA1AMCHR1OPRL1ITGA4ITGB7
SCHEMBL4982165 0.91 OPRL1 (0.39) OPRL1ITGA4ITGB7AVPR1A
SCHEMBL4982170 0.91 OPRL1 (0.39) OPRL1ITGA4ITGB7AVPR1A
SCHEMBL4979625 0.89 ADRA1A (0.39) ADRA1AMCHR1OPRL1AVPR1A
SCHEMBL4978024 0.88 ADRA1A (0.45) ADRA1AMCHR1OPRL1
SCHEMBL4978028 0.88 ADRA1A (0.45) ADRA1AMCHR1OPRL1
SCHEMBL4975800 0.87 OPRL1 (0.48) OPRL1
SCHEMBL4975803 0.87 OPRL1 (0.48) OPRL1
SCHEMBL4981311 0.87 OPRL1 (0.53) ADRA1AMCHR1OPRL1
SCHEMBL4981306 0.87 OPRL1 (0.53) ADRA1AMCHR1OPRL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7354925-B2 Alpha aryl or heteroaryl methyl beta piperidino propanamide compounds as ORL1-receptor antagonists PFIZER INC. (US) 2008-04-08 US disclosed
US-20070197500-A1 3-(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-N,N-dimethyl-2-(pyridin-2-ylmethyl)propanamide; opioid receptor-like 1 antagonist; reduced inhibitory activity at HERG potassium channel; analgesic; side effect reduction; neurpathic and other pain PFIZER, INC. 2007-08-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070197500-A1 3-(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-N,N-dimethyl-2-(pyridin-2-ylmethyl)propanamide; opioid receptor-like 1 antagonist; reduced inhibitory activity at HERG potassium channel; analgesic; side effect reduction; neurpathic and other pain OPRL1, OPRD1, OPRK1 ADRA1A 121/4885MCHR1 1007/4885OPRL1 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.